2-(2-amino-4-methylanilino)-N-cyclopropylacetamide

C12H17N3O — CID 43568194

IUPAC2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(NCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C12H17N3O/c1-8-2-5-11(10(13)6-8)14-7-12(16)15-9-3-4-9/h2,5-6,9,14H,3-4,7,13H2,1H3,(H,15,16)
InChIKeyULZHZJJQBWTUAZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.27
Rot. Bonds4

About 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide

2-(2-amino-4-methylanilino)-N-cyclopropylacetamide (PubChem CID 43568194) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
PubChem CID43568194
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(NCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C12H17N3O/c1-8-2-5-11(10(13)6-8)14-7-12(16)15-9-3-4-9/h2,5-6,9,14H,3-4,7,13H2,1H3,(H,15,16)
InChIKeyULZHZJJQBWTUAZ-UHFFFAOYSA-N
XLogP1.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
CID 114281228
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
CID 63099891
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
2-(2-amino-4-methylphenyl)-N-cyclopentylacetamide
CID 99991566
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbenzoic acid
CID 63212554

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide (CID 43568194) is 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide is Cc1ccc(NCC(=O)NC2CC2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide?
The InChIKey is ULZHZJJQBWTUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-2-5-11(10(13)6-8)14-7-12(16)15-9-3-4-9/h2,5-6,9,14H,3-4,7,13H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide?
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide has a molecular weight of 219.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 43568194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).